Molecule

ID:6897

General Information
Structure
Molecular Formula
C₇H₃BrFN
Molecular Mass
200.0078232
Exact Mass
198.94328932
Charge
0
InChI
InChI=1S/C7H3BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
InChIKey
HGXWRDPQFZKOLZ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1F)Br
Isomeric Smiles
C(#N)c1c(cc(cc1)Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7407966
LogD (pH = 7.4)
2.7407966
Log P
2.7407966
Molar Refractivity
39.6188
Polarizability
14.817426
Polar Surface Area
23.79
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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